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Chemistry

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Also known as: 73590-85-9, Omeprazole sulfide, Omeprazole sulphide, Omeprazole metabolite omeprazole sulfide, Ufiprazole [inn], 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole

Molecular Formula

C₁₇H₁₉N₃O₂S

Molecular Weight

329.4 g/mol

InChI Key

XURCIPRUUASYLR-UHFFFAOYSA-N

FDA UNII

6FFV1V867C

1 2D Structure

Omeprazole Sulfide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole

2.1.2 InChI

InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)

2.1.3 InChI Key

XURCIPRUUASYLR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC

2.2 Other Identifiers

2.2.1 UNII

6FFV1V867C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. H 168-22

2. Omeprazole Sulfide

3. Omeprazole Sulphide

2.3.2 Depositor-Supplied Synonyms

1. 73590-85-9

2. Omeprazole Sulfide

3. Omeprazole Sulphide

4. Omeprazole Metabolite Omeprazole Sulfide

5. Ufiprazole [inn]

6. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole

7. 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1h-benzimidazole

8. Omeprazole Impurity C

9. Chembl892

10. 6ffv1v867c

11. Mfcd00869021

12. 5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylthio)-1h-benzo[d]imidazole

13. Pyrmetazole

14. Ufiprazolum

15. Ufiprazol

16. 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1h-1,3-benzodiazole

17. 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1h-benzimidazole

18. Ufiprazol [spanish]

19. Ufiprazolum [latin]

20. Unii-6ffv1v867c

21. 5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole

22. 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)thio)benzimidazole

23. Omeprazole-sulfide

24. 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1h-benzimidazole

25. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)thio]-1h-benzimidazole

26. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1h-benzimidazole

27. 1c6

28. 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulphanyl]-1h-benzimidazole (ufiprazole)

29. Omeprazole; Prilosec

30. Indiumnitrate

31. Esomeprazole, Deoxy-

32. Ufiprazole [inci]

33. 2-{[(3,5-dimethyl-4-methoxy-2-pyridinyl)-methyl]-thio}-5-methoxy-1h-benzimidazole

34. Dsstox_cid_31605

35. Dsstox_rid_97489

36. Dsstox_gsid_57816

37. Schembl662986

38. H 168-22

39. Dtxsid7057816

40. Chebi:188255

41. Amy30620

42. Bcp21782

43. Hy-g0006

44. Tox21_113939

45. Bdbm50240509

46. S6438

47. Zinc13603907

48. 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)thio)benzimidazol

49. Akos008263382

50. Akos015963030

51. Am10788

52. Ncgc00262946-01

53. Ac-24286

54. As-17791

55. Sy046832

56. Cas-73590-85-9

57. Db-032173

58. Omeprazole Impurity C [ep Impurity]

59. Ft-0673287

60. Ft-0673288

61. O0437

62. 590m859

63. A837866

64. H-168/22

65. Omeprazole Sulfide, Pharmaceutical Impurity Standard

66. Omeprazole Sulphide;esomeprazole Related Substance C

67. Q-201911

68. Omeprazole Magnesium Impurity C [ep Impurity]

69. Q27264821

70. 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)me

71. Z1203029456

72. 1h-benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)thio)-

73. 2-[[(3,5-dimethyl-4-methoxy-2-pyridinyl)methyl]thio]-5-methoxy-1h-benzimidazole

74. 5-methoxy-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl Thio-1h-benzimidazole

75. 5-methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethylsulfanyl)-1h-benzoimidazole

76. 5-methoxy-2-[(3,5-dimethyl-4-methoxy-2-pyridinyl)methylthio]-1h-benzimidazole

77. 5-methoxy-2-[(4-methoxy-3,5-di-methylpyridin-2-yl)methylsulfanyl]-1h-benzimidazole

78. 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl-thio]-1h-benzimidazole

79. 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]-1h-benzimidazole

80. 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylthio]-1h-benzimidazole

81. 5-methoxy-2-[[(4-methoxy-3,5 Dimethyl-2-pyridinyl)methyl]thio]-1h-benzimidazole

82. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl)thio]-1h Benzimidazole

83. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]thio]-1h-benzimidazole

84. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)thio]-1h Benzimidazole

85. 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio] Benzimidazole

86. 5-methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio}-1h-benzimidazole

87. 6-methoxy-2-(((4-methoxy-3,5-dimethyl Pyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole

88. 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole

89. 6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylthio)-1h-benzo[d]imidazole

90. 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]-1h-benzimidazole

91. 6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-1h-benzimidazole

92. 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulanyl]-1h-benzimidazole

93. Omeprazole Sulfide; Omeprazole Sulphide; Omeprazole Metabolite Omeprazole Sulfide

94. 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulphanyl]-1h-benzimidazole(omeprazole Sulfide)(omeprazole Impurity C), Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₉N₃O₂S
Molecular Weight	329.4 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	329.11979803 g/mol
Monoisotopic Mass	329.11979803 g/mol
Topological Polar Surface Area	85.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	387
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1